BDBM50266716 CHEMBL4090448

SMILES: CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O

InChI Key: InChIKey=CIFUBNJEFZRCAW-KMSCUOMXSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50266716   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 3 (Mus musculus)	BDBM50266716 (CHEMBL4090448) Show SMILES CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r| Show InChI InChI=1S/C40H45IN8O5/c1-24(50)49-23-30-10-5-4-9-29(30)22-35(49)39(54)46-32(11-6-18-45-40(43)44)37(52)48-34(20-25-13-16-31(41)17-14-25)38(53)47-33(36(42)51)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,32-35H,6,11,18,20-23H2,1H3,(H2,42,51)(H,46,54)(H,47,53)(H,48,52)(H4,43,44,45)/t32-,33-,34+,35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC3R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50266716 (CHEMBL4090448) Show SMILES CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r| Show InChI InChI=1S/C40H45IN8O5/c1-24(50)49-23-30-10-5-4-9-29(30)22-35(49)39(54)46-32(11-6-18-45-40(43)44)37(52)48-34(20-25-13-16-31(41)17-14-25)38(53)47-33(36(42)51)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,32-35H,6,11,18,20-23H2,1H3,(H2,42,51)(H,46,54)(H,47,53)(H,48,52)(H4,43,44,45)/t32-,33-,34+,35-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair